N-(4-acetamidophenyl)-2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(1-adamantyl)-N-mesyl-anilino]acetamide Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H33N3O4S/c1-18(31)28-23-5-7-24(8-6-23)29-26(32)17-30(35(2,33)34)25-9-3-22(4-10-25)27-14-19-11-20(15-27)13-21(12-19)16-27/h3-10,19-21H,11-17H2,1-2H3,(H,28,31)(H,29,32)